ABINIT/m_xc_vdw/vdw_df_create_mesh [ Functions ]

npts= length of the mesh
mesh_type= integer representing the type of the mesh
mesh_cutoff= where to cut the mesh
mesh_inc(optional)= mesh increment, if linear
avoid_zero(optional)= whether to avoid zero in the mesh
exact_max(optional)= whether to force the last mesh element to be
strictly equal to the cutoff
mesh_ratio(optional)= ratio between the first and last segment (or inverse),
when applies
mesh_tolerance(optional)= tolerance to apply for the mesh
mesh_file(optional)= formatted file (e20.8) where to read the mesh,
when applies

ABINIT/m_xc_vdw/vdw_df_filter [ Functions ]

nqpts= number of q-mesh points
nrpts= number of mesh points in real space
rcut= cut-off in real space
gcut= cut-off in reciprocal space
sofswt= Driver of the softening in real space
OUTPUTS
ngpts= number of mesh points in reciprocal space

m_xc_vdw/vdw_df_netcdf_ioerr [ Functions ]

array_name= name of the array not properly allocated.
array_size= size of the array.
file_name= name of the file where the allocation was performed.
file_line= line number in the file where the allocation was performed.

NOTES

This routine is usually interfaced with the macros defined in abi_common.h
and uses this information to define a line offset.